ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate

C104H89F6N39O17 — CID 162292175

About ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate

ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 162292175) has the molecular formula C104H89F6N39O17 and a molecular weight of 2271.10 g/mol. Its IUPAC name is ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
• PubChem CID: 162292175
• Molecular Formula: C104H89F6N39O17
• Molecular Weight: 2271.10 g/mol
• Exact Mass: 2269.72
• IUPAC Name: ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
• SMILES: CCOC(=O)c1cc2c(nc1NC(=O)c1ccc(-n3ccnc3)nn1)CCN(C)C2.COC(=O)c1cc2[nH]ncc2cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc2c(cc1NC(=O)c1ccc(-n3ccnc3)nn1)CCCC2.COC(=O)c1nn(C)cc1NC(=O)c1ccc(-n2ccnc2)nn1.Cc1ccc(NC(=O)c2ccc(-n3ccnc3)nn2)c(C(O)(C(F)(F)F)C(F)(F)F)c1.O=C(Nc1ncccc1-c1noc(=O)[nH]1)c1ccc(-n2ccnc2)nn1
• InChI: InChI=1S/C20H21N7O3.C20H19N5O3.C18H13F6N5O2.C17H13N7O3.C15H10N8O3.C14H13N7O3/c1-3-30-20(29)14-10-13-11-26(2)8-6-15(13)22-18(14)23-19(28)16-4-5-17(25-24-16)27-9-7-21-12-27;1-28-20(27)15-10-13-4-2-3-5-14(13)11-17(15)22-19(26)16-6-7-18(24-23-16)25-9-8-21-12-25;1-10-2-3-12(11(8-10)16(31,17(19,20)21)18(22,23)24)26-15(30)13-4-5-14(28-27-13)29-7-6-25-9-29;1-27-17(26)11-7-13-10(8-19-21-13)6-14(11)20-16(25)12-2-3-15(23-22-12)24-5-4-18-9-24;24-14(10-3-4-11(21-20-10)23-7-6-16-8-23)18-12-9(2-1-5-17-12)13-19-15(25)26-22-13;1-20-7-10(12(19-20)14(23)24-2)16-13(22)9-3-4-11(18-17-9)21-6-5-15-8-21/h4-5,7,9-10,12H,3,6,8,11H2,1-2H3,(H,22,23,28);6-12H,2-5H2,1H3,(H,22,26);2-9,31H,1H3,(H,26,30);2-9H,1H3,(H,19,21)(H,20,25);1-8H,(H,17,18,24)(H,19,22,25);3-8H,1-2H3,(H,16,22)
• InChIKey: KHWMMYJVSDQNSF-UHFFFAOYSA-N
• XLogP: 10.25
• TPSA: 696.04 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 48
• Rotatable Bonds: 25
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2271.10
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?

The IUPAC name of ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 162292175) is ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

What is the SMILES notation for ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?

The canonical SMILES for ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate is CCOC(=O)c1cc2c(nc1NC(=O)c1ccc(-n3ccnc3)nn1)CCN(C)C2.COC(=O)c1cc2[nH]ncc2cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc2c(cc1NC(=O)c1ccc(-n3ccnc3)nn1)CCCC2.COC(=O)c1nn(C)cc1NC(=O)c1ccc(-n2ccnc2)nn1.Cc1ccc(NC(=O)c2ccc(-n3ccnc3)nn2)c(C(O)(C(F)(F)F)C(F)(F)F)c1.O=C(Nc1ncccc1-c1noc(=O)[nH]1)c1ccc(-n2ccnc2)nn1.

What is the InChIKey of ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?

The InChIKey is KHWMMYJVSDQNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3.C20H19N5O3.C18H13F6N5O2.C17H13N7O3.C15H10N8O3.C14H13N7O3/c1-3-30-20(29)14-10-13-11-26(2)8-6-15(13)22-18(14)23-19(28)16-4-5-17(25-24-16)27-9-7-21-12-27;1-28-20(27)15-10-13-4-2-3-5-14(13)11-17(15)22-19(26)16-6-7-18(24-23-16)25-9-8-21-12-25;1-10-2-3-12(11(8-10)16(31,17(19,20)21)18(22,23)24)26-15(30)13-4-5-14(28-27-13)29-7-6-25-9-29;1-27-17(26)11-7-13-10(8-19-21-13)6-14(11)20-16(25)12-2-3-15(23-22-12)24-5-4-18-9-24;24-14(10-3-4-11(21-20-10)23-7-6-16-8-23)18-12-9(2-1-5-17-12)13-19-15(25)26-22-13;1-20-7-10(12(19-20)14(23)24-2)16-13(22)9-3-4-11(18-17-9)21-6-5-15-8-21/h4-5,7,9-10,12H,3,6,8,11H2,1-2H3,(H,22,23,28);6-12H,2-5H2,1H3,(H,22,26);2-9,31H,1H3,(H,26,30);2-9H,1H3,(H,19,21)(H,20,25);1-8H,(H,17,18,24)(H,19,22,25);3-8H,1-2H3,(H,16,22).

What are the key properties of ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?

ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 2271.10 g/mol, XLogP of 10.25, 25 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 162292175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).